3-bromanyl-5-chloranyl-2-methoxy-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenesulfonamide

Systemtic Name: 3-bromanyl-5-chloranyl-2-methoxy-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenesulfonamide Openeye Name: 3-bromo-5-chloro-2-methoxy-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenesulfonamide CAS Name: 3-bromo-5-chloro-2-methoxy-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]benzenesulfonamide IUPAC Name: 3-bromo-5-chloro-2-methoxy-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]benzenesulfonamide Traditional Name: 3-bromo-5-chloro-2-methoxy-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]benzenesulfonamide Formula: C16H25BrClN2O4S+ MolecularWeight: 456.8027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNS(=O)(=O)C1=CC(=CC(=C1OC)Br)Cl)[NH+]2CCOCC2

Isomeric SMILES

CC(C)[C@@H](CNS(=O)(=O)C1=CC(=CC(=C1OC)Br)Cl)[NH+]2CCOCC2

InChI

InChI=1S/C16H24BrClN2O4S/c1-11(2)14(20-4-6-24-7-5-20)10-19-25(21,22)15-9-12(18)8-13(17)16(15)23-3/h8-9,11,14,19H,4-7,10H2,1-3H3/p+1/t14-/m1/s1